[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate Openeye Name: [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfamoyl)benzoate CAS Name: 3-[(4-methylphenyl)sulfamoyl]benzoic acid [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfamoyl]benzoate Traditional Name: 3-(p-tolylsulfamoyl)benzoic acid [(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C23H29N3O5S/c1-4-25-12-14-26(15-13-25)22(27)18(3)31-23(28)19-6-5-7-21(16-19)32(29,30)24-20-10-8-17(2)9-11-20/h5-11,16,18,24H,4,12-15H2,1-3H3/p+1/t18-/m0/s1